3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid

3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid

CAS: 2106-54-9

Formula: C6HCl3F8O2

SMILES: OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl

IUPAC: 3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid

InChI: InChI=1/C6HCl3F8O2/c7-3(12,2(10,11)1(18)19)5(14,15)4(8,13)6(9,16)17/h(H,18,19)

Composition: C (19.83%), H (0.28%), Cl (29.26%), F (41.82%), O (8.80%)

Molar Mass: 363.41

Atom Count: 20

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	361.8914377
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ANRGSWRBGXZQLY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	47
Topological Polar Surface Area	37.3
Polarizability	18.32
Ring Count	0
Rotatable Bond Count	5

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